126208-61-5,MFCD02091535
Catalog No.:AA000SAB

126208-61-5 | 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$27.00   $19.00
- +
5g
90%
in stock  
$55.00   $38.00
- +
25g
90%
in stock  
$190.00   $133.00
- +
100g
98%
in stock  
$559.00 $392.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000SAB
Chemical Name:
3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine
CAS Number:
126208-61-5
Molecular Formula:
C13H17N3
Molecular Weight:
215.2942
MDL Number:
MFCD02091535
SMILES:
Nc1cc(nn1c1ccccc1)C(C)(C)C
Properties
Computed Properties
 
Complexity:
228  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.3  

Downstream Synthesis Route
41195-90-8    126208-61-5   
(2,3-dichlorophenyl)amino-N-3-(tert-butyl)-1-phenylpyrazol-5-ylcarboxamide 

[1]Dumas,Jacques;Hatoum-Mokdad,Holia;Sibley,Robert;Riedl,Bernd;Scott,WilliamJ.;Monahan,MaryKatherine;Lowinger,TimothyB.;Brennan,Catherine;Natero,Reina;Turner,Tiffany;Johnson,JeffreyS.;Schoenleber,Robert;Bhargava,Ajay;Wilhelm,ScottM.;Housley,TimothyJ.;Ranges,GeraldE.;Shrikhande,Alka[BioorganicandMedicinalChemistryLetters,2000,vol.10,#18,p.2051-2054]

[1]Bagley,MarkC.;Davis,Terence;Dix,MatthewC.;Widdowson,CarolineS.;Kipling,David[OrganicandBiomolecularChemistry,2006,vol.4,#22,p.4158-4164]

[2]Haddad,Nizar;Baron,James[TetrahedronLetters,2002,vol.43,#12,p.2171-2173]

[3]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

[4]Everson,Nikalet;Yniguez,Kenya;Loop,Lauren;Lazaro,Horacio;Belanger,Briana;Koch,Grant;Bach,Jordan;Manjunath,Aashrita;Schioldager,Ryan;Law,Jarvis;Grabenauer,Megan;Eagon,Scott[TetrahedronLetters,2019,vol.60,#1,p.72-74]

[5]Li,Guo-Bo;Ma,Shuang;Yang,Ling-Ling;Ji,Sen;Fang,Zhen;Zhang,Guo;Wang,Li-Jiao;Zhong,Jie-Min;Xiong,Yu;Wang,Jiang-Hong;Huang,Shen-Zhen;Li,Lin-Li;Xiang,Rong;Niu,Dawen;Chen,Ying-Chun;Yang,Sheng-Yong[JournalofMedicinalChemistry,2016,vol.59,#18,p.8293-8305]

[6]Cuenú,Fernando;Londoño-Salazar,Jennifer;Torres,JohnEduard;Abonia,Rodrigo;D'Vries,RichardF.[JournalofMolecularStructure,2018,vol.1152,p.163-176]

[7]Dumas,Jacques;Hatoum-Mokdad,Holia;Sibley,Robert;Riedl,Bernd;Scott,WilliamJ.;Monahan,MaryKatherine;Lowinger,TimothyB.;Brennan,Catherine;Natero,Reina;Turner,Tiffany;Johnson,JeffreyS.;Schoenleber,Robert;Bhargava,Ajay;Wilhelm,ScottM.;Housley,TimothyJ.;Ranges,GeraldE.;Shrikhande,Alka[BioorganicandMedicinalChemistryLetters,2000,vol.10,#18,p.2051-2054]

[8]Montalban,AntonioGarrido;Boman,Erik;Chang,Chau-Dung;Ceide,SusanaConde;Dahl,Russell;Dalesandro,David;Delaet,NancyG.J.;Erb,Eric;Ernst,JustinT.;Gibbs,Andrew;Kahl,Jeffrey;Kessler,Linda;Lundstroem,Jan;Miller,Stephen;Nakanishi,Hiroshi;Roberts,Edward;Saiah,Eddine;Sullivan,Robert;Wang,Zhijun;Larson,ChristopherJ.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#6,p.1772-1777]

[9]Locationinpatent:schemeortableRowbottom,MartinW.;Faraoni,Raffaella;Chao,Qi;Campbell,BrianT.;Lai,AndiliyG.;Setti,Eduardo;Ezawa,Maiko;Sprankle,KellyG.;Abraham,Sunny;Tran,Lan;Struss,Brian;Gibney,Michael;Armstrong,RobertC.;Gunawardane,RuwanthiN.;Nepomuceno,RonaldR.;Valenta,Ianina;Hua,Helen;Gardner,MichaelF.;Cramer,MerrylD.;Gitnick,Dana;Insko,DarrenE.;Apuy,JuliusL.;Jones-Bolin,Susan;Ghose,ArupK.;Herbertz,Torsten;Ator,MarkA.;Dorsey,BruceD.;Ruggeri,Bruce;Williams,Michael;Bhagwat,Shripad;James,Joyce;Holladay,MarkW.[JournalofMedicinalChemistry,2012,vol.55,#3,p.1082-1105]

[10]Jiang,Yingnan;Zhang,Ke;Gao,Suyu;Wang,Guihua;Huang,Jian;Wang,Jinhui;Chen,Lixia[Molecules,2016,vol.21,#5]

[11]Nasiri,AmirH.;Saxena,Krishna;Bats,JanW.;Nasiri,HamidR.;Schwalbe,Harald[MedChemComm,2016,vol.7,#7,p.1421-1428]

[12]Moreno-Fuquen,Rodolfo;Cuenú,Fernando;Torres,JohnEduard;DelaVega,Gala;Galarza,Esperanza;Abonia,Rodrigo;Kennedy,AlanR.[JournalofMolecularStructure,2017,vol.1150,p.366-373]

[13]Pan,Junyi;Liu,Cheng;Wang,Jianqiang;Dai,Yunqiao;Wang,Shengyu;Guo,Cheng[TetrahedronLetters,2021,vol.77]

[14]Abonia,Rodrigo;Cuenú-Cabezas,Fernando;Fernandez,Dorancelly;GómezCastaño,JovannyA.;LeLagadec,Ronan;Restrepo-Acevedo,Andrés;Rocha-Roa,Cristian;Zacchino,SusanaA.[Molecules,2021,vol.26,#24]

[1]Haddad,Nizar;Baron,James[TetrahedronLetters,2002,vol.43,#12,p.2171-2173]

1878-66-6    126208-61-5   
<i>N</i>-(5-<i>tert</i>-butyl-2-phenyl-2<i>H</i>-pyrazol-3-yl)-2-(4-chloro-phenyl)-acetamide 

[1]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

[1]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON;CANCERRESEARCHUK-WO2011/92469,2011,A1Locationinpatent:Page/Pagecolumn39

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SDS
Tags:126208-61-5 Molecular Formula|126208-61-5 MDL|126208-61-5 SMILES|126208-61-5 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine
Catalog No.: AA000SAB
126208-61-5,MFCD02091535
126208-61-5 | 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine
Pack Size: 1g
Purity: 98%
in stock
$27.00 $19.00
Pack Size: 5g
Purity: 90%
in stock
$55.00 $38.00
Pack Size: 25g
Purity: 90%
in stock
$190.00 $133.00
Pack Size: 100g
Purity: 98%
in stock
$559.00 $392.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000SAB
Chemical Name: 3-tert-Butyl-1-phenyl-1H-pyrazol-5-amine
CAS Number: 126208-61-5
Molecular Formula: C13H17N3
Molecular Weight: 215.2942
MDL Number: MFCD02091535
SMILES: Nc1cc(nn1c1ccccc1)C(C)(C)C
Properties
Complexity: 228  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.3  
Downstream Synthesis Route
41195-90-8    126208-61-5   
(2,3-dichlorophenyl)amino-N-3-(tert-butyl)-1-phenylpyrazol-5-ylcarboxamide 

[1]Dumas,Jacques;Hatoum-Mokdad,Holia;Sibley,Robert;Riedl,Bernd;Scott,WilliamJ.;Monahan,MaryKatherine;Lowinger,TimothyB.;Brennan,Catherine;Natero,Reina;Turner,Tiffany;Johnson,JeffreyS.;Schoenleber,Robert;Bhargava,Ajay;Wilhelm,ScottM.;Housley,TimothyJ.;Ranges,GeraldE.;Shrikhande,Alka[BioorganicandMedicinalChemistryLetters,2000,vol.10,#18,p.2051-2054]

59997-51-2    100-63-0    126208-61-5 

[1]Bagley,MarkC.;Davis,Terence;Dix,MatthewC.;Widdowson,CarolineS.;Kipling,David[OrganicandBiomolecularChemistry,2006,vol.4,#22,p.4158-4164]

[2]Haddad,Nizar;Baron,James[TetrahedronLetters,2002,vol.43,#12,p.2171-2173]

[3]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

[4]Everson,Nikalet;Yniguez,Kenya;Loop,Lauren;Lazaro,Horacio;Belanger,Briana;Koch,Grant;Bach,Jordan;Manjunath,Aashrita;Schioldager,Ryan;Law,Jarvis;Grabenauer,Megan;Eagon,Scott[TetrahedronLetters,2019,vol.60,#1,p.72-74]

[5]Li,Guo-Bo;Ma,Shuang;Yang,Ling-Ling;Ji,Sen;Fang,Zhen;Zhang,Guo;Wang,Li-Jiao;Zhong,Jie-Min;Xiong,Yu;Wang,Jiang-Hong;Huang,Shen-Zhen;Li,Lin-Li;Xiang,Rong;Niu,Dawen;Chen,Ying-Chun;Yang,Sheng-Yong[JournalofMedicinalChemistry,2016,vol.59,#18,p.8293-8305]

[6]Cuenú,Fernando;Londoño-Salazar,Jennifer;Torres,JohnEduard;Abonia,Rodrigo;D'Vries,RichardF.[JournalofMolecularStructure,2018,vol.1152,p.163-176]

[7]Dumas,Jacques;Hatoum-Mokdad,Holia;Sibley,Robert;Riedl,Bernd;Scott,WilliamJ.;Monahan,MaryKatherine;Lowinger,TimothyB.;Brennan,Catherine;Natero,Reina;Turner,Tiffany;Johnson,JeffreyS.;Schoenleber,Robert;Bhargava,Ajay;Wilhelm,ScottM.;Housley,TimothyJ.;Ranges,GeraldE.;Shrikhande,Alka[BioorganicandMedicinalChemistryLetters,2000,vol.10,#18,p.2051-2054]

[8]Montalban,AntonioGarrido;Boman,Erik;Chang,Chau-Dung;Ceide,SusanaConde;Dahl,Russell;Dalesandro,David;Delaet,NancyG.J.;Erb,Eric;Ernst,JustinT.;Gibbs,Andrew;Kahl,Jeffrey;Kessler,Linda;Lundstroem,Jan;Miller,Stephen;Nakanishi,Hiroshi;Roberts,Edward;Saiah,Eddine;Sullivan,Robert;Wang,Zhijun;Larson,ChristopherJ.[BioorganicandMedicinalChemistryLetters,2008,vol.18,#6,p.1772-1777]

[9]Locationinpatent:schemeortableRowbottom,MartinW.;Faraoni,Raffaella;Chao,Qi;Campbell,BrianT.;Lai,AndiliyG.;Setti,Eduardo;Ezawa,Maiko;Sprankle,KellyG.;Abraham,Sunny;Tran,Lan;Struss,Brian;Gibney,Michael;Armstrong,RobertC.;Gunawardane,RuwanthiN.;Nepomuceno,RonaldR.;Valenta,Ianina;Hua,Helen;Gardner,MichaelF.;Cramer,MerrylD.;Gitnick,Dana;Insko,DarrenE.;Apuy,JuliusL.;Jones-Bolin,Susan;Ghose,ArupK.;Herbertz,Torsten;Ator,MarkA.;Dorsey,BruceD.;Ruggeri,Bruce;Williams,Michael;Bhagwat,Shripad;James,Joyce;Holladay,MarkW.[JournalofMedicinalChemistry,2012,vol.55,#3,p.1082-1105]

[10]Jiang,Yingnan;Zhang,Ke;Gao,Suyu;Wang,Guihua;Huang,Jian;Wang,Jinhui;Chen,Lixia[Molecules,2016,vol.21,#5]

[11]Nasiri,AmirH.;Saxena,Krishna;Bats,JanW.;Nasiri,HamidR.;Schwalbe,Harald[MedChemComm,2016,vol.7,#7,p.1421-1428]

[12]Moreno-Fuquen,Rodolfo;Cuenú,Fernando;Torres,JohnEduard;DelaVega,Gala;Galarza,Esperanza;Abonia,Rodrigo;Kennedy,AlanR.[JournalofMolecularStructure,2017,vol.1150,p.366-373]

[13]Pan,Junyi;Liu,Cheng;Wang,Jianqiang;Dai,Yunqiao;Wang,Shengyu;Guo,Cheng[TetrahedronLetters,2021,vol.77]

[14]Abonia,Rodrigo;Cuenú-Cabezas,Fernando;Fernandez,Dorancelly;GómezCastaño,JovannyA.;LeLagadec,Ronan;Restrepo-Acevedo,Andrés;Rocha-Roa,Cristian;Zacchino,SusanaA.[Molecules,2021,vol.26,#24]

59997-51-2    574-61-8    126208-61-5 

[1]Haddad,Nizar;Baron,James[TetrahedronLetters,2002,vol.43,#12,p.2171-2173]

1878-66-6    126208-61-5   
<i>N</i>-(5-<i>tert</i>-butyl-2-phenyl-2<i>H</i>-pyrazol-3-yl)-2-(4-chloro-phenyl)-acetamide 

[1]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

75-44-5    126208-61-5    443912-83-2 

[1]Regan,John;Moss,Neil;Pargellis,Chris;Pav,Sue;Proto,Alfred;Swinamer,Alan;Tong,Liang;Torcellini,Carol;Breitfelder,Steffen;Cirillo,Pier;Gilmore,Thomas;Graham,AnneG.;Hickey,Eugene;Klaus,Bernhard;Madwed,Jeffrey;Moriak,Monica[JournalofMedicinalChemistry,2002,vol.45,#14,p.2994-3008]

[2]CurrentPatentAssignee:UNIVERSITYOFLONDON;CANCERRESEARCHUK-WO2011/92469,2011,A1Locationinpatent:Page/Pagecolumn39

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